3-cyclohexyl-1-(2,2-difluoroethyl)piperazine

C12H22F2N2 — CID 64832480

IUPAC3-cyclohexyl-1-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C12H22F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h10-12,15H,1-9H2
InChIKeyMPBKOXYYJGWEQA-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.11
Rot. Bonds3

About 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine

3-cyclohexyl-1-(2,2-difluoroethyl)piperazine (PubChem CID 64832480) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,2-difluoroethyl)piperazine
PubChem CID64832480
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-cyclohexyl-1-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C12H22F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h10-12,15H,1-9H2
InChIKeyMPBKOXYYJGWEQA-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine (CID 64832480) is 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine is FC(F)CN1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine?
The InChIKey is MPBKOXYYJGWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h10-12,15H,1-9H2.
What are the key properties of 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine?
3-cyclohexyl-1-(2,2-difluoroethyl)piperazine has a molecular weight of 232.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,2-difluoroethyl)piperazine is sourced from PubChem (CID 64832480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).